Journal ArticleDOI
Fine Tuning the Energetics of Excited-State Intramolecular Proton Transfer (ESIPT): White Light Generation in A Single ESIPT System
Kuo-Chun Tang,Ming-Jen Chang,Tsung-Yi Lin,Hsiao-An Pan,Tzu-Chien Fang,Kew-Yu Chen,Wen-Yi Hung,Yu-Hsiang Hsu,Pi-Tai Chou +8 more
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TLDR
The results provide the proof of concept that the white light generation can be achieved in a single ESIPT system.Abstract:
Using 7-hydroxy-1-indanone as a prototype (I), which exhibits excited-state intramolecular proton transfer (ESIPT), chemical modification has been performed at C(2)-C(3) positions by fusing benzene (molecule II) and naphthalene rings, (molecule III) I undergoes an ultrafast rate of ESIPT, resulting in a unique tautomer emission (λ(max) ∼530 nm), whereas excited-state equilibrium is established for both II and III, as supported by the dual emission and the associated relaxation dynamics The forward ESIPT (normal to proton-transfer tautomer species) rates for II and III are deduced to be (30 ps)(-1) and (22 ps)(-1), respectively, while the backward ESIPT rates are (11 ps)(-1) and (48 ps)(-1) The ESIPT equilibrium constants are thus calculated to be 037 and 22 for II and III, respectively, giving a corresponding free energy change of 059 and -047 kcal/mol between normal and tautomer species For III, normal and tautomer emissions in solid are maximized at 435 and 580 nm, respectively, achieving a white light generation with Commission Internationale de l'Eclairage (CIE) (030, 027) An organic light-emitting diode based on III is also successfully fabricated with maximum brightness of 665 cd m(-2) at 20 V (885 mA cm(-2)) and the CIE coordinates of (026, 035) The results provide the proof of concept that the white light generation can be achieved in a single ESIPT systemread more
Citations
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Journal ArticleDOI
Dynamic Full-Color Tuning of Organic Chromophore in a Multi-Stimuli-Responsive 2D Flexible MOF.
Zhaoquan Yao,Kai Wang,Rui Liu,Yiwen Yuan,Jing Pang,Quan-Wen Li,Tianyin Shao,Zhi Gang Li,Rui Feng,Bo Zou,Wei Li,Jian Xu,Xian-He Bu +12 more
TL;DR: In this article , a conformation-adaptable organic chromophore was incorporated into the established coordination space of a flexible metal-organic framework (MOF) for color tunability over the visible range.
Journal ArticleDOI
Photo-induced proton transfer in fluorene- and carbazole-based compounds as red- and orange-light-emitting molecules: A TD-DFT study
TL;DR: In this article, the potential energy surfaces for ground and excited states were calculated for intramolecular photo-induced proton transfers in fluorene- and carbazole-based compounds of 5H-indeno[1,2-b]pyridin-9-ol (IPO) and 5Hpyrido[3,2b]indol-9 -ol (PIO) at PBE0/6-311++G(2d,2p) level of theory.
Journal ArticleDOI
Modulating O-H-based excited-state intramolecular proton transfer by alkyl-substitutions at various positions of 1-hydroxy-11H-benzo[b]fluoren-11-one
TL;DR: In this article, the influence of substitutions at various positions of 1-hydroxy-11H-benzo[b]fluoren-11-one (HBF) on the intramolecular hydrogen bond strength, adsorption and fluorescence spectra and finally the proton transfer energy barriers is investigated.
Journal ArticleDOI
Theoretical investigation on the excited state intramolecular proton transfer in Me 2 N substituted flavonoid by the time-dependent density functional theory method
Journal ArticleDOI
Construction and theoretical insights into the ESIPT fluorescent probe for imaging formaldehyde in vitro and in vivo.
TL;DR: In this article, the ESIPT-based probe ABTB was used for the highly sensitive and selective imaging of formaldehyde (FA) in the brain of AD mice, and various theoretical calculations have been systematically performed, and clearly unravel the lighting mechanism of the fluorescent probe for FA.
References
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